Drofenine hydrochloride
TL;DR: Drofenine hydrochloride (CAS 548-66-3) is a chemical compound with molecular formula C20H32ClNO2 and molecular weight 353.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate;hydrochloride
Also Known As: Drofenine hydrochloride, Cyclovegantine, Drofenine HCl, Trasentine-A, Hexahydroadiphenine
| Molecular Formula | C20H32ClNO2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 4.66 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 353.21216 |
| Heavy Atoms | 24 |
| Complexity | 329.0 |
| Solubility | >53.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 548-66-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2.Cl |
| InChIKey | WIELVDXKOYPANK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Drofenine hydrochloride (CAS 548-66-3), with molecular formula C20H32ClNO2 and molecular weight 353.21 g/mol. IUPAC: 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate;hydrochloride.
Chemical Property Profile of Drofenine hydrochloride
Property Insights of Drofenine hydrochloride
The XLogP value of 4.66 indicates that Drofenine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Drofenine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Drofenine hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Drofenine hydrochloride?
The CAS number of Drofenine hydrochloride is 548-66-3.
What is the molecular formula of Drofenine hydrochloride?
The molecular formula of Drofenine hydrochloride is C20H32ClNO2.
What is the molecular weight of Drofenine hydrochloride?
The molecular weight of Drofenine hydrochloride is 353.21 g/mol.
Where can I buy Drofenine hydrochloride?
You can request a quote for Drofenine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Drofenine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Drofenine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.